Reaction Details | |||
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Target | Coagulation factor X | ||
Ligand | BDBM12561 | ||
Substrate/Competitor | BDBM12500 | ||
Meas. Tech. | Factor Xa Inhibition Assay | ||
pH | 7.8±n/a | ||
Temperature | 298.15±n/a K | ||
Ki | 3±n/a nM | ||
Citation | Watson, NS; Brown, D; Campbell, M; Chan, C; Chaudry, L; Convery, MA; Fenwick, R; Hamblin, JN; Haslam, C; Kelly, HA; King, NP; Kurtis, CL; Leach, AR; Manchee, GR; Mason, AM; Mitchell, C; Patel, C; Patel, VK; Senger, S; Shah, GP; Weston, HE; Whitworth, C; Young, RJ Design and synthesis of orally active pyrrolidin-2-one-based factor Xa inhibitors. Bioorg Med Chem Lett16:3784-8 (2006) [PubMed] Article | ||
More Info.: | Get all data from this article, Solution Info, Assay Method | ||
Coagulation factor X | |||
Name: | Coagulation factor X | ||
Synonyms: | Activated coagulation factor X (FXa) | Activated factor Xa heavy chain | Coagulation factor X precursor | Coagulation factor Xa | F10 | FA10_HUMAN | Factor X heavy chain | Factor X light chain | Factor Xa | Stuart factor | Stuart-Prower factor | ||
Type: | Enzyme | ||
Mol. Mass.: | 54726.60 | ||
Organism: | Homo sapiens (Human) | ||
Description: | n/a | ||
Residue: | 488 | ||
Sequence: |
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BDBM12561 | |||
BDBM12500 | |||
Name | BDBM12561 | ||
Synonyms: | N-[(3S)-1-[(2S)-1-{2-azabicyclo[2.2.2]octan-2-yl}-1-oxopropan-2-yl]-2-oxopyrrolidin-3-yl]-6-chloronaphthalene-2-sulfonamide | pyrrolidin-2-one-based inhibitor 20 | ||
Type | Small organic molecule | ||
Emp. Form. | C24H28ClN3O4S | ||
Mol. Mass. | 490.015 | ||
SMILES | C[C@H](N1CC[C@H](NS(=O)(=O)c2ccc3cc(Cl)ccc3c2)C1=O)C(=O)N1CC2CCC1CC2 |r,wD:1.0,5.5,(24.17,-11.35,;25.5,-12.12,;26.84,-11.35,;26.95,-9.81,;28.44,-9.44,;29.26,-10.75,;30.79,-10.86,;31.46,-12.25,;30.13,-13.02,;31.86,-13.74,;33,-12.25,;33.71,-10.88,;35.25,-10.81,;36.08,-12.11,;37.62,-12.04,;38.45,-13.34,;39.99,-13.27,;37.74,-14.71,;36.2,-14.78,;35.37,-13.48,;33.83,-13.55,;28.26,-11.93,;28.63,-13.42,;25.5,-13.66,;26.84,-14.43,;24.17,-14.43,;22.84,-13.66,;21.5,-14.43,;21.5,-15.97,;22.84,-16.74,;24.17,-15.97,;22.43,-15.88,;22.37,-15.08,)| | ||
Structure |